1,3-dicyclopropyladamantane

C16H24 — CID 154595701

IUPAC1,3-dicyclopropyladamantane
SMILESC1C2CC3(C4CC4)CC1CC(C1CC1)(C2)C3
InChIInChI=1S/C16H24/c1-2-13(1)15-6-11-5-12(7-15)9-16(8-11,10-15)14-3-4-14/h11-14H,1-10H2
InChIKeyFKMJCQDQCRFCSZ-UHFFFAOYSA-N
MW216.37 g/mol
LogP4.39
Rot. Bonds2

About 1,3-dicyclopropyladamantane

1,3-dicyclopropyladamantane (PubChem CID 154595701) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is 1,3-dicyclopropyladamantane.

Molecular Properties

Compound Name1,3-dicyclopropyladamantane
PubChem CID154595701
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name1,3-dicyclopropyladamantane
SMILESC1C2CC3(C4CC4)CC1CC(C1CC1)(C2)C3
InChIInChI=1S/C16H24/c1-2-13(1)15-6-11-5-12(7-15)9-16(8-11,10-15)14-3-4-14/h11-14H,1-10H2
InChIKeyFKMJCQDQCRFCSZ-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclopropyladamantane?
The IUPAC name of 1,3-dicyclopropyladamantane (CID 154595701) is 1,3-dicyclopropyladamantane.
What is the SMILES notation for 1,3-dicyclopropyladamantane?
The canonical SMILES for 1,3-dicyclopropyladamantane is C1C2CC3(C4CC4)CC1CC(C1CC1)(C2)C3.
What is the InChIKey of 1,3-dicyclopropyladamantane?
The InChIKey is FKMJCQDQCRFCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-2-13(1)15-6-11-5-12(7-15)9-16(8-11,10-15)14-3-4-14/h11-14H,1-10H2.
What are the key properties of 1,3-dicyclopropyladamantane?
1,3-dicyclopropyladamantane has a molecular weight of 216.37 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclopropyladamantane is sourced from PubChem (CID 154595701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).